propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate

C12H23N3O3 — CID 122136016

IUPACpropan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(2)18-12(17)15-7-5-10(6-8-15)13-11(16)14(3)4/h9-10H,5-8H2,1-4H3,(H,13,16)
InChIKeyOLOIHVNZXRWIEJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.27
Rot. Bonds2

About propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate

propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 122136016) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID122136016
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namepropan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(2)18-12(17)15-7-5-10(6-8-15)13-11(16)14(3)4/h9-10H,5-8H2,1-4H3,(H,13,16)
InChIKeyOLOIHVNZXRWIEJ-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate (CID 122136016) is propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(NC(=O)N(C)C)CC1.
What is the InChIKey of propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is OLOIHVNZXRWIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)18-12(17)15-7-5-10(6-8-15)13-11(16)14(3)4/h9-10H,5-8H2,1-4H3,(H,13,16).
What are the key properties of propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate?
propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(dimethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 122136016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).